(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H35N3O5 — CID 40974407

IUPAC(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C24H35N3O5/c1-3-31-21-15-20(26-9-11-30-12-10-26)22(32-4-2)14-19(21)25-24(29)17-13-23(28)27(16-17)18-7-5-6-8-18/h14-15,17-18H,3-13,16H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyPTJFGYJHJULUIC-KRWDZBQOSA-N
MW445.56 g/mol
LogP3.05
Rot. Bonds8

About (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40974407) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40974407
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Name(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C24H35N3O5/c1-3-31-21-15-20(26-9-11-30-12-10-26)22(32-4-2)14-19(21)25-24(29)17-13-23(28)27(16-17)18-7-5-6-8-18/h14-15,17-18H,3-13,16H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyPTJFGYJHJULUIC-KRWDZBQOSA-N
XLogP3.05
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41307340
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4820653
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41030803
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55576251
1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46978039
(1R,6R)-6-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1139568
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-nitrocyclopropane-1-carboxamide
CID 55771739
2-[cyclohexyl(ethyl)amino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3447844
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 40974407) is (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PTJFGYJHJULUIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-3-31-21-15-20(26-9-11-30-12-10-26)22(32-4-2)14-19(21)25-24(29)17-13-23(28)27(16-17)18-7-5-6-8-18/h14-15,17-18H,3-13,16H2,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40974407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).